N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C19H15N5O5S — CID 90515471

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515471) has the molecular formula C19H15N5O5S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
• PubChem CID: 90515471
• Molecular Formula: C19H15N5O5S
• Molecular Weight: 425.43 g/mol
• Exact Mass: 425.08
• IUPAC Name: N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
• SMILES: O=C(NCCn1nc(-c2ccco2)ccc1=O)c1coc(NC(=O)c2cccs2)n1
• InChI: InChI=1S/C19H15N5O5S/c25-16-6-5-12(14-3-1-9-28-14)23-24(16)8-7-20-17(26)13-11-29-19(21-13)22-18(27)15-4-2-10-30-15/h1-6,9-11H,7-8H2,(H,20,26)(H,21,22,27)
• InChIKey: WMYNSDSOOWXTSF-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 132.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.43
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515471) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)c1coc(NC(=O)c2cccs2)n1.

What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

The InChIKey is WMYNSDSOOWXTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5S/c25-16-6-5-12(14-3-1-9-28-14)23-24(16)8-7-20-17(26)13-11-29-19(21-13)22-18(27)15-4-2-10-30-15/h1-6,9-11H,7-8H2,(H,20,26)(H,21,22,27).

What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 425.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).